MolNFT v1 · #81175 · protein
Overall structure of PATJ/PALS1/MALS complex
3UIT · Inad-like protein, maguk P55 subfamily member 5, protein…: “Overall structure of PATJ/PALS1/MALS complex”. X-ray diffraction, 14 pockets (best druggability 0.87). MolNFT v1 #81175 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3UIT
- Type
- protein
- Length
- 1,021 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Inad-like protein, maguk P55 subfamily member 5, protein lin-7 homolog B
- UniProt
- Q63ZW7, Q8N3R9, Q9Z252
- Pockets
- 14 · best druggability 0.87
Structure
x-ray diffraction · 4 distinct chains · 71% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Inad-like protein, maguk P55 subfamily member 5, protein lin-7 homolog B | protein | 256 | 71% helix, 1% strand | Q63ZW7, Q8N3R9, Q9Z252 |
| B | Inad-like protein, maguk P55 subfamily member 5, protein lin-7 homolog B | protein | 253 | 73% helix, 1% strand | Q63ZW7, Q8N3R9, Q9Z252 |
| C | Inad-like protein, maguk P55 subfamily member 5, protein lin-7 homolog B | protein | 255 | 69% helix, 1% strand | Q63ZW7, Q8N3R9, Q9Z252 |
| D | Inad-like protein, maguk P55 subfamily member 5, protein lin-7 homolog B | protein | 257 | 71% helix, 1% strand | Q63ZW7, Q8N3R9, Q9Z252 |
Ligands and binding sites
- ACT · Acetate ion · additive · 20 copies · chains A, C, D, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1055 | 0.87 | 0.88 | 111 | ACT |
| 2 | 192 | 0.60 | 0.82 | 45 | ACT |
| 3 | 251 | 0.53 | 0.76 | 37 | ACT |
| 4 | 143 | 0.46 | 0.77 | 19 | empty |
| 5 | 136 | 0.45 | 0.77 | 15 | empty |
Interfaces
6 interfaces between chains.
- B–C · 2260 Ų buried · 14 hydrogen bonds · protein-protein
- A–D · 2252 Ų buried · 20 hydrogen bonds · protein-protein
- B–D · 1919 Ų buried · 17 hydrogen bonds · protein-protein
- A–C · 1876 Ų buried · 17 hydrogen bonds · protein-protein
- C–D · 153 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 3UIT · Overall structure of Patj/Pals1/Mals complex · the same entry in another collection · chain A against A, TM-score 1.00
- Q8N3R9 · AlphaFold monomer V2.0 prediction for maguk P55 subfamily member 5 (Q8N3R9) · a predicted model of the same protein · chain A against A, TM-score 0.39
- Q63ZW7 · AlphaFold monomer V2.0 prediction for inad-like protein (Q63ZW7) · a predicted model of the same protein · chain A against A, TM-score 0.34
- Q9Z252 · AlphaFold monomer V2.0 prediction for protein lin-7 homolog B (Q9Z252) · a predicted model of the same protein · chain C against A, TM-score 0.30
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q63ZW7
- Every structure of UniProt Q8N3R9
- Every structure of UniProt Q9Z252
- Elsewhere: RCSB PDB 3UIT · PDBe 3UIT · UniProt Q63ZW7 · UniProt Q8N3R9 · UniProt Q9Z252
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